CID 170969259

C19H15B2F3N6OS — CID 170969259

IUPAC—
SMILES[B]C([B])(C)c1ccc2cnn(C)c2c1NS(=O)c1cnn(-c2ccnc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H15B2F3N6OS/c1-18(20,21)14-4-3-11-8-26-29(2)17(11)16(14)28-32(31)13-9-27-30(10-13)12-5-6-25-15(7-12)19(22,23)24/h3-10,28H,1-2H3
InChIKeyVZPZVJFQJBBNFF-UHFFFAOYSA-N
MW454.06 g/mol
LogP2.82
Rot. Bonds5

About CID 170969259

CID 170969259 (PubChem CID 170969259) has the molecular formula C19H15B2F3N6OS and a molecular weight of 454.06 g/mol.

Molecular Properties

Compound NameCID 170969259
PubChem CID170969259
Molecular FormulaC19H15B2F3N6OS
Molecular Weight454.06 g/mol
Exact Mass454.12
IUPAC Name—
SMILES[B]C([B])(C)c1ccc2cnn(C)c2c1NS(=O)c1cnn(-c2ccnc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H15B2F3N6OS/c1-18(20,21)14-4-3-11-8-26-29(2)17(11)16(14)28-32(31)13-9-27-30(10-13)12-5-6-25-15(7-12)19(22,23)24/h3-10,28H,1-2H3
InChIKeyVZPZVJFQJBBNFF-UHFFFAOYSA-N
XLogP2.82
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.06
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-(6-cyclopropyl-1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
CID 170969157
1-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-4-amine
CID 134821905
N-(6-chloro-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
CID 170969003
6-ethyl-1-methyl-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]sulfanyl]indazol-7-amine
CID 170964638
N-(6-methoxy-1-methylindazol-7-yl)-3-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
CID 170968701
4-methyl-N-(1-methylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfinamide
CID 170965185
N-(1,6-dimethylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
CID 170965119
1-methyl-3-(1-methylindazol-7-yl)-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide
CID 171093563
1-[4-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170969092
N-[4,6-dichloro-5-(trifluoromethyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfinamide
CID 163247524
N-[1-methyl-6-(trifluoromethoxy)indazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]-N-[1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]sulfonylpyrazole-4-sulfonamide
CID 170969478
N-(6-methoxy-1-methylindazol-7-yl)-1-(4-morpholin-4-yl-2-pyridinyl)pyrazole-4-sulfonamide
CID 175679485

Frequently Asked Questions

What is the IUPAC name of CID 170969259?
The IUPAC name of CID 170969259 (CID 170969259) is not available.
What is the SMILES notation for CID 170969259?
The canonical SMILES for CID 170969259 is [B]C([B])(C)c1ccc2cnn(C)c2c1NS(=O)c1cnn(-c2ccnc(C(F)(F)F)c2)c1.
What is the InChIKey of CID 170969259?
The InChIKey is VZPZVJFQJBBNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15B2F3N6OS/c1-18(20,21)14-4-3-11-8-26-29(2)17(11)16(14)28-32(31)13-9-27-30(10-13)12-5-6-25-15(7-12)19(22,23)24/h3-10,28H,1-2H3.
What are the key properties of CID 170969259?
CID 170969259 has a molecular weight of 454.06 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170969259 is sourced from PubChem (CID 170969259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).